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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50548568'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50548568
PNG
(CHEMBL4781352)
Show SMILES CCN1CC2(CCN(CCc3cc(F)ccc3F)CC2)O[C@H](C)C1=O |r|
PDB

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KEGG

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
64n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-DAMGO from human MOR expressed in CHOK1 cell membranes incubated for 60 mins by liquid scintillation counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01127
BindingDB Entry DOI: 10.7270/Q2PC35ZC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50548568
PNG
(CHEMBL4781352)
Show SMILES CCN1CC2(CCN(CCc3cc(F)ccc3F)CC2)O[C@H](C)C1=O |r|
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
118n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114649
BindingDB Entry DOI: 10.7270/Q2F47T3Z
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50548568
PNG
(CHEMBL4781352)
Show SMILES CCN1CC2(CCN(CCc3cc(F)ccc3F)CC2)O[C@H](C)C1=O |r|
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 52n/an/an/an/a


TBA

Assay Description
Agonist activity at human MOR expressed in CHOK1 cells assessed as stimulation of cAMP accumulation incubated for 45 mins by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01127
BindingDB Entry DOI: 10.7270/Q2PC35ZC
More data for this
Ligand-Target Pair